5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H17N5O2 — CID 62016791

IUPAC5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCN(CCO)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C11H17N5O2/c1-2-3-15(4-5-17)7-9-6-10(18)16-11(14-9)12-8-13-16/h6,8,17H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyHZHFZXNZSZTYMM-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.38
Rot. Bonds6

About 5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62016791) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62016791
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCN(CCO)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C11H17N5O2/c1-2-3-15(4-5-17)7-9-6-10(18)16-11(14-9)12-8-13-16/h6,8,17H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyHZHFZXNZSZTYMM-UHFFFAOYSA-N
XLogP-0.38
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 107485080
5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 107485770
2-[(2-hydroxyethyl)(methyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 641864
5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 59476764
5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55060786
methyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propylamino]acetate
CID 62010789
5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62013855
5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62013894
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62015793
5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62015946
5-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62016080
5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62016799

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62016791) is 5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCN(CCO)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HZHFZXNZSZTYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-3-15(4-5-17)7-9-6-10(18)16-11(14-9)12-8-13-16/h6,8,17H,2-5,7H2,1H3,(H,12,13,14).
What are the key properties of 5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 251.29 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62016791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).